(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione

C20H16N4O10 — CID 159972941

About (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione (PubChem CID 159972941) has the molecular formula C20H16N4O10 and a molecular weight of 472.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
• PubChem CID: 159972941
• Molecular Formula: C20H16N4O10
• Molecular Weight: 472.37 g/mol
• Exact Mass: 472.09
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
• SMILES: O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C10H8N2O6.C10H8N2O4/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-2H,3-5H2;1-4H,5-6H2
• InChIKey: OEUCKSQSKSARCQ-UHFFFAOYSA-N
• XLogP: -2.64
• TPSA: 175.82 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.37
LogP ≤ 5	-2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione (CID 159972941) is (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione is O=C(CN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1CCN1C(=O)C=CC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione?

The InChIKey is OEUCKSQSKSARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O6.C10H8N2O4/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16;13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-2H,3-5H2;1-4H,5-6H2.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione?

(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione has a molecular weight of 472.37 g/mol, XLogP of -2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 159972941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).